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SMILES: CCOC(=O)c1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl

InChI Key: InChIKey=HGFNEQOAXJNXIH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 393609   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-C chemokine receptor type 9


(Homo sapiens (Human))		BDBM393609
PNG
(US9969687, Compound 290)
Show SMILES CCOC(=O)c1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
Show InChI InChI=1S/C26H24ClN3O7S/c1-5-37-25(33)22-19(7-6-14-29(22)34)30-23(31)20-17(27)12-13-18(21(20)24(30)32)28-38(35,36)16-10-8-15(9-11-16)26(2,3)4/h6-14,28H,5H2,1-4H3
PDB

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KEGG

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PC cid
PC sid
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US Patent
 14n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...

J Med Chem 52: 2652-5 (2009)


BindingDB Entry DOI: 10.7270/Q28W3GNH
More data for this
Ligand-Target Pair